Name: Name:Benzeneacetic acid, 2-carboxy-4-nitro-
Brand: Angene
SKU: AG00CHY4
Rating: 90 (10 reviews)

Benzeneacetic acid, 2-carboxy-4-nitro-

CAS No.:

3898-66-6

Catalog Number:

AG00CHY4

Molecular Formula:

C9H7NO6

Molecular Weight:

225.1550

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Product Description

Catalog Number:

AG00CHY4

Chemical Name:

Benzeneacetic acid, 2-carboxy-4-nitro-

CAS Number:

3898-66-6

Molecular Formula:

C9H7NO6

Molecular Weight:

225.1550

MDL Number:

MFCD04035583

IUPAC Name:

2-(carboxymethyl)-5-nitrobenzoic acid

InChI:

InChI=1S/C9H7NO6/c11-8(12)3-5-1-2-6(10(15)16)4-7(5)9(13)14/h1-2,4H,3H2,(H,11,12)(H,13,14)

InChI Key:

QHIFWNXJOHQQTH-UHFFFAOYSA-N

SMILES:

OC(=O)Cc1ccc(cc1C(=O)O)[N+](=O)[O-]

Properties

Complexity:

310

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

225.027g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

225.156g/mol

Monoisotopic Mass:

225.027g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

120A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7

Literature

Title	Journal
Uncharged isocoumarin-based inhibitors of urokinase-type plasminogen activator.	BMC chemical biology 20060101